General Information of the Compound
Compound ID
CP0435462
Compound Name
4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
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Structure
Formula
C8H13N5
Molecular Weight
179.227
Canonical SMILES
Cc1cc(nc(N)n1)N1CC(N)C1
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InChI
InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
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InChIKey
NNRWOZRAHOUFDJ-UHFFFAOYSA-N
Physicochemical Property
logP
-0.48548
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
81.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155533291
ChEMBL ID
CHEMBL4468827
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 50.12 nM
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